1-(phenylmethyl)-3-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]thiourea

Systemtic Name: 1-(phenylmethyl)-3-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]thiourea Openeye Name: 1-benzyl-3-[(1-benzylpiperidin-1-ium-4-ylidene)amino]thiourea CAS Name: 1-(phenylmethyl)-3-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]thiourea IUPAC Name: 1-benzyl-3-[(1-benzylpiperidin-1-ium-4-ylidene)amino]thiourea Traditional Name: 1-benzyl-3-[(1-benzylpiperidin-1-ium-4-ylidene)amino]thiourea Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NNC(=S)NCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1=NNC(=S)NCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4S/c25-20(21-15-17-7-3-1-4-8-17)23-22-19-11-13-24(14-12-19)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H2,21,23,25)/p+1